CID 42948959

5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)N

InChI

InChI=1S/C10H11N3O2/c1-10(8(14)12-9(15)13-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15)

InChIKey

JJFIISOFQBYREX-UHFFFAOYSA-N

Compound name

5-(3-aminophenyl)-5-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.08513 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.09241	143.8
[M+Na]+	228.07435	152.6
[M-H]-	204.07785	145.5
[M+NH4]+	223.11895	162.1
[M+K]+	244.04829	147.9
[M+H-H2O]+	188.08239	137.2
[M+HCOO]-	250.08333	163.0
[M+CH3COO]-	264.09898	180.8
[M+Na-2H]-	226.05980	147.1
[M]+	205.08458	138.0
[M]-	205.08568	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe